1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate

C20H36O5 — CID 11696129

IUPAC1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
SMILESCCCCCC[C@@H](CCC)C(=O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C20H36O5/c1-4-6-7-9-13-17(12-5-2)19(21)23-16(3)24-20(22)25-18-14-10-8-11-15-18/h16-18H,4-15H2,1-3H3/t16?,17-/m1/s1
InChIKeyFHKNZGMPUVCHOQ-ZYMOGRSISA-N
MW356.50 g/mol
LogP5.75
Rot. Bonds11

About 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate

1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate (PubChem CID 11696129) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
PubChem CID11696129
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
SMILESCCCCCC[C@@H](CCC)C(=O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C20H36O5/c1-4-6-7-9-13-17(12-5-2)19(21)23-16(3)24-20(22)25-18-14-10-8-11-15-18/h16-18H,4-15H2,1-3H3/t16?,17-/m1/s1
InChIKeyFHKNZGMPUVCHOQ-ZYMOGRSISA-N
XLogP5.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl 2-hexyldecanoate
CID 174570245
propan-2-yl 2-pentyloctanoate
CID 130235852
2-propyldodecaneperoxoic acid
CID 23173793
cyclopentyl 1-iodobutyl carbonate
CID 86119197
pentan-2-yl 2-butyloctanoate
CID 126658986
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium bromide
CID 51059954
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
2-propylnonanoyl 2-propylnonanoate
CID 54359138
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
1-iodoethyl 2-octyldecanoate
CID 130341553
methyl 2-propyltetradecanoate
CID 174361538
1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281328

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate (CID 11696129) is 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate is CCCCCC[C@@H](CCC)C(=O)OC(C)OC(=O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate?
The InChIKey is FHKNZGMPUVCHOQ-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H36O5/c1-4-6-7-9-13-17(12-5-2)19(21)23-16(3)24-20(22)25-18-14-10-8-11-15-18/h16-18H,4-15H2,1-3H3/t16?,17-/m1/s1.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate?
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate has a molecular weight of 356.50 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate is sourced from PubChem (CID 11696129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).